smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)N4CC[NH+](C)CC4)C3=O)SC2=S)CC1	ZINC000101000534	554552291	/nfs/dbraw/zinc/55/22/91/554552291.db2.gz	IJUKLPGBUCFDSN-ISLYRVAYSA-N	2	2	570.788	0.247	50	10		KCCALP
CC1(C)OCC([N+](=O)[O-])([N+](=O)Nc2nonc2N[N+](=O)c2nonc2N[N+](=O)C2([N+](=O)[O-])COC(C)(C)OC2)CO1	ZINC000225423324	571789891	/nfs/dbraw/zinc/78/98/91/571789891.db2.gz	AXBBHGVVPBAUDB-UHFFFAOYSA-N	3	2	591.431	0.752	50	10		KCCALP